3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile

C16H21N3O — CID 11219475

IUPAC3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile
SMILESN#Cc1cc(N2CCCCC2)cc(N2CCOCC2)c1
InChIInChI=1S/C16H21N3O/c17-13-14-10-15(18-4-2-1-3-5-18)12-16(11-14)19-6-8-20-9-7-19/h10-12H,1-9H2
InChIKeyUBVFEMBSGHPFAS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds2

About 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile

3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile (PubChem CID 11219475) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile.

Molecular Properties

Compound Name3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile
PubChem CID11219475
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile
SMILESN#Cc1cc(N2CCCCC2)cc(N2CCOCC2)c1
InChIInChI=1S/C16H21N3O/c17-13-14-10-15(18-4-2-1-3-5-18)12-16(11-14)19-6-8-20-9-7-19/h10-12H,1-9H2
InChIKeyUBVFEMBSGHPFAS-UHFFFAOYSA-N
XLogP2.39
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile
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6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
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3-(4-hydroxybut-1-en-2-yl)-5-pyrrolidin-1-ylbenzonitrile
CID 167954956
cyclohexanamine;4-piperidin-1-ylbenzonitrile
CID 144513309
5-morpholin-4-ylbenzene-1,3-diol
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1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile
CID 91373755
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile?
The IUPAC name of 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile (CID 11219475) is 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile.
What is the SMILES notation for 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile?
The canonical SMILES for 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile is N#Cc1cc(N2CCCCC2)cc(N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile?
The InChIKey is UBVFEMBSGHPFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-13-14-10-15(18-4-2-1-3-5-18)12-16(11-14)19-6-8-20-9-7-19/h10-12H,1-9H2.
What are the key properties of 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile?
3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-5-piperidin-1-ylbenzonitrile is sourced from PubChem (CID 11219475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).